SCHEMBL27870520

SCHEMBL27870520

CCCCCN(C(=O)OCc1ccccc1)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ABCB1 P08183 1/20 0.39
CETP P11597 3/20 0.39
OPRM1 P35372 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7298183 0.85 L3MBTL1 (0.47) ITGB3ITGA2BALDH1A1L3MBTL1LMNA
SCHEMBL11571244 0.85 CTRC (0.45) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL28101686 0.84 REN (0.38) ITGB3ITGA2BALDH1A1L3MBTL1CYP3A4
SCHEMBL7362550 0.83 LMNA (0.49) ITGB3ITGA2BALDH1A1L3MBTL1LMNA
SCHEMBL20166038 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL27644241 0.83 FOLH1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL27644244 0.83 FOLH1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL28365896 0.82 L3MBTL1 (0.39) ALDH1A1L3MBTL1LMNAHSD17B10CYP3A4
SCHEMBL7273178 0.82 L3MBTL1 (0.39) ALDH1A1L3MBTL1LMNAHSD17B10CYP3A4
SCHEMBL28365893 0.82 L3MBTL1 (0.39) ALDH1A1L3MBTL1LMNAHSD17B10CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102659920-A C-end phenylalanine p-amino modified endomorphine-1 analog and preparation and application thereof UNIV LANGZHOU 2012-09-12 CN disclosed